SCHEMBL10388572

SCHEMBL10388572

Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2)ccc1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR27 Q9NS67 1/20 0.54
▸ ENPP1 P22413 4/20 0.50
▸ ENPP3 O14638 3/20 0.50
▸ ENPP2 Q13822 2/20 0.50
▸ DEGS1 O15121 1/20 0.50
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TIMP3 P35625 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10389258 0.80 ALDH1A1 (0.54) KDM4EALDH1A1GAAPKMHPGD
SCHEMBL10785305 0.77 HDAC2 (0.54) GPR27NPC1RAB9AMEN1KMT2A
SCHEMBL10389253 0.76 GAA (0.44) MCL1SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL10388967 0.76 GAA (0.46) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10388565 0.75 CYP2C19 (0.48) ENPP2NPC1CA2ALDH1A1GAA
SCHEMBL4855729 0.74 TIMP3 (0.56) NPC1RAB9ACA2MEN1KMT2A
SCHEMBL29918524 0.74 TIMP3 (0.56) NPC1RAB9ACA2MEN1KMT2A
SCHEMBL11792408 0.74 CA1 (0.60) NPC1RAB9ACA2MEN1KMT2A
SCHEMBL679200 0.72 DEGS1 (0.74) GPR27ENPP1ENPP3ENPP2DEGS1
SCHEMBL14566868 0.72 NPC1 (0.68) DEGS1NPC1RAB9ACASP3SENP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4918183-A Monoazo dyes, process for their preparation, and the use thereof CIBA-GEIGY CORPORATION (US) 1990-04-17 — — US disclosed
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